1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine

C18H20FN — CID 43768785

IUPAC1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNC(c2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C18H20FN/c1-13-3-2-4-14(11-13)12-20-18(15-5-6-15)16-7-9-17(19)10-8-16/h2-4,7-11,15,18,20H,5-6,12H2,1H3
InChIKeyIUYZVEXXKKEPMW-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.38
Rot. Bonds5

About 1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine

1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine (PubChem CID 43768785) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
PubChem CID43768785
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNC(c2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C18H20FN/c1-13-3-2-4-14(11-13)12-20-18(15-5-6-15)16-7-9-17(19)10-8-16/h2-4,7-11,15,18,20H,5-6,12H2,1H3
InChIKeyIUYZVEXXKKEPMW-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine
CID 43221859
(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 28622798
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine
CID 60713991
1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43225746
(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369428
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 19771937
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine
CID 103943652
(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 95598748
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
CID 61015900
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine
CID 19772037
N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570678

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine (CID 43768785) is 1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine is Cc1cccc(CNC(c2ccc(F)cc2)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine?
The InChIKey is IUYZVEXXKKEPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-13-3-2-4-14(11-13)12-20-18(15-5-6-15)16-7-9-17(19)10-8-16/h2-4,7-11,15,18,20H,5-6,12H2,1H3.
What are the key properties of 1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine?
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine has a molecular weight of 269.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 43768785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).